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CAS 67580-96-5 (2-Hydroxy-ethyl)-Methyl-carbaMic acid benzyl ester molecular structure lightbox
CAS RN: 67580-96-5

(2-Hydroxy-ethyl)-Methyl-carbaMic acid benzyl ester

  • Product code: SSC-177273
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 67580-96-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

67580-96-5 / benzyl N-(2-hydroxyethyl)-N-methylcarbamate

Standard CAS: 67580-96-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
67580-96-5
Multi CAS
No
Molecular Formula
C11H15NO3
Molecular Weight
209.240000
Exact Mass
209.105193
InChI
InChI=1S/C11H15NO3/c1-12(7-8-13)11(14)15-9-10-5-3-2-4-6-10/h2-6,13H,7-9H2,1H3
InChIKey
GMIQMQBHYROSKY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.34
TPSA
49.77

LogP / Solubility

WLOGP
1.25
MLOGP
1.1
XLogP3
1.5
Consensus LogP
1.28
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.54
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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